2-azanyl-1-ethynyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-ethynyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-ethynyl-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-ethynyl-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-ethynylpurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-ethynyl-purin-6-one Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

C#CN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C12H13N5O5/c1-2-16-10(21)6-9(15-12(16)13)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h1,4-5,7-8,11,18-20H,3H2,(H2,13,15)